Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM405593
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405593 |
| SMILES |
C#CC(C#N)CCC#CC
|
| InChIKey |
KJMBNTWBXUHHAU-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM389464
Similarity: 0.8315
Similarity to MM389464
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9094 |
| Dice metric | 0.908 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199386
Similarity: 0.8312
Similarity to MM199386
| Tanimoto metric | 0.8312 |
|---|---|
| Cosine metric | 0.9117 |
| Dice metric | 0.9078 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328268
Similarity: 0.7619
Similarity to MM328268
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8656 |
| Dice metric | 0.8649 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+358 more
